1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile

C13H12N2S2 — CID 116865584

IUPAC1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESCc1sc(C2(C#N)CCC2)nc1-c1cccs1
InChIInChI=1S/C13H12N2S2/c1-9-11(10-4-2-7-16-10)15-12(17-9)13(8-14)5-3-6-13/h2,4,7H,3,5-6H2,1H3
InChIKeyGURBJAVZBMUFNK-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.13
Rot. Bonds2

About 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile

1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (PubChem CID 116865584) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
PubChem CID116865584
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESCc1sc(C2(C#N)CCC2)nc1-c1cccs1
InChIInChI=1S/C13H12N2S2/c1-9-11(10-4-2-7-16-10)15-12(17-9)13(8-14)5-3-6-13/h2,4,7H,3,5-6H2,1H3
InChIKeyGURBJAVZBMUFNK-UHFFFAOYSA-N
XLogP4.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (CID 116865584) is 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is Cc1sc(C2(C#N)CCC2)nc1-c1cccs1.
What is the InChIKey of 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is GURBJAVZBMUFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-9-11(10-4-2-7-16-10)15-12(17-9)13(8-14)5-3-6-13/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 260.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116865584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).